2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride

C17H30Cl3N3O3 — CID 17295349

IUPAC2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride
SMILESCCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCC(N)=O.Cl.Cl
InChIInChI=1S/C17H28ClN3O3.2ClH/c1-4-21(5-2)8-7-20-11-13-9-14(18)17(24-12-16(19)22)15(10-13)23-6-3;;/h9-10,20H,4-8,11-12H2,1-3H3,(H2,19,22);2*1H
InChIKeyRSFUJQFTBURLQH-UHFFFAOYSA-N
MW430.80 g/mol
LogP2.88
Rot. Bonds12

About 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride

2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride (PubChem CID 17295349) has the molecular formula C17H30Cl3N3O3 and a molecular weight of 430.80 g/mol. Its IUPAC name is 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride
PubChem CID17295349
Molecular FormulaC17H30Cl3N3O3
Molecular Weight430.80 g/mol
Exact Mass429.14
IUPAC Name2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride
SMILESCCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCC(N)=O.Cl.Cl
InChIInChI=1S/C17H28ClN3O3.2ClH/c1-4-21(5-2)8-7-20-11-13-9-14(18)17(24-12-16(19)22)15(10-13)23-6-3;;/h9-10,20H,4-8,11-12H2,1-3H3,(H2,19,22);2*1H
InChIKeyRSFUJQFTBURLQH-UHFFFAOYSA-N
XLogP2.88
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-6-ethoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4720831
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17159636
2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17293050
2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
CID 17293104
2-[2-chloro-6-ethoxy-4-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]acetamide
CID 4718653
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720819
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4720829
2-[2-chloro-6-ethoxy-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 964295
2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetic acid
CID 102535900
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4721368
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride?
The IUPAC name of 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride (CID 17295349) is 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride?
The canonical SMILES for 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride is CCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCC(N)=O.Cl.Cl.
What is the InChIKey of 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride?
The InChIKey is RSFUJQFTBURLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O3.2ClH/c1-4-21(5-2)8-7-20-11-13-9-14(18)17(24-12-16(19)22)15(10-13)23-6-3;;/h9-10,20H,4-8,11-12H2,1-3H3,(H2,19,22);2*1H.
What are the key properties of 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride?
2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride has a molecular weight of 430.80 g/mol, XLogP of 2.88, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride is sourced from PubChem (CID 17295349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).